298 related articles for article (PubMed ID: 25808539)
1. Improvements, trends, and new ideas in molecular docking: 2012-2013 in review.
Yuriev E; Holien J; Ramsland PA
J Mol Recognit; 2015 Oct; 28(10):581-604. PubMed ID: 25808539
[TBL] [Abstract][Full Text] [Related]
2. Latest developments in molecular docking: 2010-2011 in review.
Yuriev E; Ramsland PA
J Mol Recognit; 2013 May; 26(5):215-39. PubMed ID: 23526775
[TBL] [Abstract][Full Text] [Related]
3. Challenges and advances in computational docking: 2009 in review.
Yuriev E; Agostino M; Ramsland PA
J Mol Recognit; 2011; 24(2):149-64. PubMed ID: 21360606
[TBL] [Abstract][Full Text] [Related]
4. Machine learning in computational docking.
Khamis MA; Gomaa W; Ahmed WF
Artif Intell Med; 2015 Mar; 63(3):135-52. PubMed ID: 25724101
[TBL] [Abstract][Full Text] [Related]
5. idDock+: Integrating Machine Learning in Probabilistic Search for Protein-Protein Docking.
Hashmi I; Shehu A
J Comput Biol; 2015 Sep; 22(9):806-22. PubMed ID: 26222714
[TBL] [Abstract][Full Text] [Related]
6. Protein flexibility in ligand docking and virtual screening to protein kinases.
Cavasotto CN; Abagyan RA
J Mol Biol; 2004 Mar; 337(1):209-25. PubMed ID: 15001363
[TBL] [Abstract][Full Text] [Related]
7. The scoring bias in reverse docking and the score normalization strategy to improve success rate of target fishing.
Luo Q; Zhao L; Hu J; Jin H; Liu Z; Zhang L
PLoS One; 2017; 12(2):e0171433. PubMed ID: 28196116
[TBL] [Abstract][Full Text] [Related]
8. Managing protein flexibility in docking and its applications.
B-Rao C; Subramanian J; Sharma SD
Drug Discov Today; 2009 Apr; 14(7-8):394-400. PubMed ID: 19185058
[TBL] [Abstract][Full Text] [Related]
9. Application of Monte Carlo-based receptor ensemble docking to virtual screening for GPCR ligands.
Vilar S; Costanzi S
Methods Enzymol; 2013; 522():263-78. PubMed ID: 23374190
[TBL] [Abstract][Full Text] [Related]
10. Improving docking results via reranking of ensembles of ligand poses in multiple X-ray protein conformations with MM-GBSA.
Greenidge PA; Kramer C; Mozziconacci JC; Sherman W
J Chem Inf Model; 2014 Oct; 54(10):2697-717. PubMed ID: 25266271
[TBL] [Abstract][Full Text] [Related]
11. Predicting fragment binding poses using a combined MCSS MM-GBSA approach.
Haider MK; Bertrand HO; Hubbard RE
J Chem Inf Model; 2011 May; 51(5):1092-105. PubMed ID: 21528911
[TBL] [Abstract][Full Text] [Related]
12. Efficient inclusion of receptor flexibility in grid-based protein-ligand docking.
Leis S; Zacharias M
J Comput Chem; 2011 Dec; 32(16):3433-9. PubMed ID: 21919015
[TBL] [Abstract][Full Text] [Related]
13. Comprehensive assessment of flexible-ligand docking algorithms: current effectiveness and challenges.
Huang SY
Brief Bioinform; 2018 Sep; 19(5):982-994. PubMed ID: 28334282
[TBL] [Abstract][Full Text] [Related]
14. Fusing Docking Scoring Functions Improves the Virtual Screening Performance for Discovering Parkinson's Disease Dual Target Ligands.
Perez-Castillo Y; Helguera AM; Cordeiro MNDS; Tejera E; Paz-Y-Mino C; Sanchez-Rodriguez A; Borges F; Cruz-Monteagudo M
Curr Neuropharmacol; 2017 Nov; 15(8):1107-1116. PubMed ID: 28067172
[TBL] [Abstract][Full Text] [Related]
15. Normal mode-based approaches in receptor ensemble docking.
Cavasotto CN
Methods Mol Biol; 2012; 819():157-68. PubMed ID: 22183536
[TBL] [Abstract][Full Text] [Related]
16. Ensemble docking of multiple protein structures: considering protein structural variations in molecular docking.
Huang SY; Zou X
Proteins; 2007 Feb; 66(2):399-421. PubMed ID: 17096427
[TBL] [Abstract][Full Text] [Related]
17. Understanding the challenges of protein flexibility in drug design.
Antunes DA; Devaurs D; Kavraki LE
Expert Opin Drug Discov; 2015 Dec; 10(12):1301-13. PubMed ID: 26414598
[TBL] [Abstract][Full Text] [Related]
18. A Novel Scoring Based Distributed Protein Docking Application to Improve Enrichment.
Pradeep P; Struble C; Neumann T; Sem DS; Merrill SJ
IEEE/ACM Trans Comput Biol Bioinform; 2015; 12(6):1464-9. PubMed ID: 26671816
[TBL] [Abstract][Full Text] [Related]
19. Representing receptor flexibility in ligand docking through relevant normal modes.
Cavasotto CN; Kovacs JA; Abagyan RA
J Am Chem Soc; 2005 Jul; 127(26):9632-40. PubMed ID: 15984891
[TBL] [Abstract][Full Text] [Related]
20. Beware of machine learning-based scoring functions-on the danger of developing black boxes.
Gabel J; Desaphy J; Rognan D
J Chem Inf Model; 2014 Oct; 54(10):2807-15. PubMed ID: 25207678
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]
